Basmisanil (CED0018934)

Record Information

Version

1.0

Creation Date

2026-04-14 18:27:38 UTC

Update Date

2026-08-21 18:25:50 UTC

Accession Number

CHEM131379

Identification

Common Name

Basmisanil

Class

Small Molecule

Description

Basmisanil is an organic compound with the chemical formula C21H20FN3O5S and an average molecular weight of 445.47 g/mol. Basmisanil belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. The compound is associated with 13 recorded sources. Within the category of electrical and electronic equipment, it is found in or released from antennas, amplifiers, electric hearing aids, line transmission systems, cores yokes or armatures, and six additional sources. It is also recorded in building and construction materials, specifically floors, as well as in food, food processing and cookware related to the treatment of hops. Regarding its biological activity, basmisanil is a recorded modulator of the gamma-aminobutyric acid receptor subunit alpha-5 (GABRA5) protein target.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₀FN₃O₅S

Average Molecular Mass

445.470 g/mol

Monoisotopic Mass

445.111 g/mol

CAS Registry Number

1159600-41-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(COC2=CC=C(C=N2)C(=O)N2CCS(=O)(=O)CC2)C(=NO1)C1=CC=C(F)C=C1

InChI Identifier

InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3

InChI Key

VCGRFBXVSFAGGA-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1121900000-4f2917c1bdb0f27e2ef5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03em-1496300000-5bd0cec398149890a6f8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01po-6950000000-8e0a69f12bc177b03f93	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-2140900000-47beb5b2bfcbeb53a004	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fa6-1869400000-fa74542169b525321714	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9000000000-eca240c63aecbb3e9878	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
528	Microphones	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
627	Roulette Games	Recreation & sports surfaces	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-5	P31644	Humans	Predicted (SEA)	3.50322
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P50128	Macaca mulatta	Predicted (SEA)	7.23998
Click to view 3D structure	Integrin alpha-5	P08648	Humans	Predicted (SEA)	3.42537
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	1397.08
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	188.551
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	1754.72
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	3392.98
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	205.522
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	141.919
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	103.851
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	65.7047
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2254.98
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	3384.03
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	1263.65
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	793.284
Click to view 3D structure	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	67.106
Click to view 3D structure	Retinoic acid receptor alpha	P10276	Humans	Predicted (SEA)	79.2505
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	2096.4
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	694.804
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	401.157
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	326.889
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	527.195
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	1933.23
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	1467.77
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	2118.59